SCHEMBL2623072

SCHEMBL2623072

Cc1cc(NC(=S)N[C@@H]2CCCC[C@H]2N(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
GAA P10253 5/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17466653 1.00 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL19979000 1.00 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL12660185 1.00 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL26216793 0.93 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL2513150 0.93 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL812122 0.93 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL12997180 0.93 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL812121 0.93 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL17466674 0.87 MEN1 (0.42) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL17189963 0.86 POLB (0.36) LMNASMN1; SMN2MEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 US disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 US disclosed
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 LMNA 3015/4885SMN1; SMN2 3118/4885MEN1 309/4885
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST CCNL2, ASH2L, AHR LMNA 1976/4885SMN1; SMN2 2845/4885MEN1 820/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.